SCHEMBL1994543

SCHEMBL1994543

FC(F)(F)Oc1ccc(C#Cc2cccc3c4c([nH]c23)C2CCN(CC2)C4)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
AKR1C3 P42330 1/20 0.33
MAPK7 Q13164 2/20 0.32
CTSK P43235 1/20 0.32
KIT P10721 1/20 0.32
LCAT P04180 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRM1 P35372 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1994483 0.77 PIK3CA (0.34) CTSKKIT
SCHEMBL2814467 0.73 KIF11 (0.43) HTR6HTR2B
SCHEMBL28659226 0.63 ACACB (0.50)
SCHEMBL1991893 0.63 CDK4 (0.36) CHRM2CHRM1
SCHEMBL1994668 0.62 CHRNB2 (0.42) CHRM2CHRM1
SCHEMBL1990765 0.62 NFE2L2 (0.37) HTR6
SCHEMBL29120766 0.61 FFAR1 (0.42)
SCHEMBL19401230 0.61 CA12 (0.42)
SCHEMBL403812 0.61 APP (0.50)
SCHEMBL1991067 0.60 BRD4 (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP claimed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US claimed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP disclosed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US disclosed
EP-2516440-A1 BRIDGEHEAD AMINE RING -FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRY DISORDERS Abbott Laboratories (US) 2012-10-31 EP disclosed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
WO-2011075487-A1 BRIDGEHEAD AMINE RING -FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRY DISORDERS ABBOTT LABORATORIES (US) 2011-06-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES IDO2, IDO1, TPH2 HTR6 26/4885AKR1C3 435/4885MAPK7 3565/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.